Adaptive Modeling Process for a Battery Energy Management System.
Abstract not provided.
Rosewater, David Martin↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Modeling Lithium-ion Battery Internal Temperature Under Load with Convective Cooling.
Abstract not provided.
Rosewater, David Martin↗
Modeling the Behavior of Zn-AgO Batteries During High Rates of Discharge
The modelling behavior of Zn-AgO batteries during high rates of discharge is covered. The long term model-objectives are: to determine local heat generation rates and the removal of heat.
Lee, Woo-kum↗
Mathematical modeling of a nickel-cadmium battery
Extensions are presented for a mathematical model of an Ni-CD cell (Fan and White, 1991). These extensions consist of intercalation thermodynamics for the nickel electrode and oxygen generation and reduction reactions during charge and overcharge. The simulated results indicate that intercalation may be important in the nickel electrode and that including the oxygen reactions provides a means of predicting the efficiency of the cell on charge and discharge.
Fan, Deyuan↗
Design and Performance of lithium-Ion Batteries for Achieving Electric Vehicle Takeoff, Flight, and Landing
Today, the burgeoning drive towards global urbanization with over half the earth’s population living in cities, has created major challenges with regards to intracity and intercity transit and mobility. This problem is compounded due to the fact that almost always urbanization and increase in standard of living drives individual automobile ownerships. Over 95% of automobiles are presently powered by some form of fossil fuel and as an unintended consequence, urban centers have also been centers for peak greenhouse gas emissions, a major contributor to global climate change. A revolutionary solution to this conundrum is flight capable electric automobiles or electric aerial vehicles that can tackle both urban mobility and climate change challenges. For such advanced electric platforms, energy storage and delivery component is the vital component towards achieving takeoff, flight, cruise, and landing. The requirements and duty cycle demands on the energy storage system is drastically different when compared to the performance metrics required for terrestrial electric vehicles. As the widely deployed lithium ion-based battery systems are often the primary go-to energy storage choice in electric vehicle related applications, it is imperative that performance metrics and specifications for such batteries towards areal electric vehicles need to be established. In this nascent field, there exists ample opportunities for battery material innovations, understanding degradation mechanism, battery design, development and deployment of battery control and management systems. Thus, this chapter comprehensively discusses battery requirements and identifies battery material chemistries suitable for handling aerial electric automobile duty cycles. The chapter also discusses the battery cell-level metrics pertaining to electrochemical, chemical, mechanical, and structural parameters. Furthermore, specific models for battery degradation, state of health (SOH), capacity and models for full cell performance and degradation are also discussed here. Finally, the chapter also discusses battery safety and future directions of batteries that would power these next generation urban electric aircrafts.
Amin, Ruhul↗
Physics-informed CoKriging model of a redox flow battery
Vanadium redox flow batteries (VRFBs) offer the capability to store large amounts of energy cheaply and efficiently, however, there is a need for fast and accurate models of the charge–discharge curve of a VRFB to potentially improve the battery capacity and performance. Here, we develop a multifidelity model for predicting the charge–discharge curve of a VRFB. In the multifidelity model, we use the Physics-informed CoKriging (CoPhIK) machine learning method that is trained on experimental data and constrained by the so-called “zero-dimensional” physics-based model. Here we demonstrate that the model shows good agreement with experimental results and significant improvements over existing zero-dimensional models. We show that the proposed model is robust as it is not sensitive to the input parameters in the zero-dimensional model. We also show that only a small amount of high-fidelity experimental datasets are needed for accurate predictions for the range of considered input parameters, which include current density, flow rate, and initial concentrations.
25 ENERGY STORAGE↗
RFB Side Effects - Shunt Currents
The various models related to fluid flow, electrochemistry and shunt current, and their interactions are reviewed, and gaps identified in the development of flow battery holistic models. In a flow battery stack, the cells are electrically connected through the manifolds via the electrolyte. This results in shunt current through the electrolyte, which is a source of loss in the battery stack. This issue is examined in depth with a mathematical method of calculating shunt current distribution, the associated losses, and strategies to mitigate shunt current losses, along with the trade-offs.
Crawford, Aladsair J.↗
Electrothermal Modeling of Lithium-Ion Batteries for Electric Vehicles
Performance of lithium-ion batteries is contingent on the operational temperature and applied current rate. Especially in electric vehicle (EV) application, repeated heavy-duty drive cycles impose intense thermal stress on batteries, resulting in safety concerns. This article explains the electrochemistry within the battery and analyzes the dependence of battery internal parameters on temperature and current rate based on their electrochemical nature. In addition, this interdependence is used in the equivalent circuit model to predict the battery behavior under different drive cycles. Finally, the behavior under different drive cycles is analyzed to improve the battery performance in electric vehicles.
25 ENERGY STORAGE↗
Model-Based Design and Integration of Large Li-ion Battery Systems
This presentation introduces physics-based models of batteries and software toolsets, including those developed by the U.S. Department of Energy's (DOE) Computer-Aided Engineering for Electric-Drive Vehicle Batteries Program (CAEBAT). The presentation highlights achievements and gaps in model-based tools for materials-to-systems design, lifetime prediction and control.
33 ADVANCED PROPULSION SYSTEMS↗
Cathode Modeling of Solid-State Batteries
The search for safe, reliable, and compact high-capacity energy storage devices has led to increased interest in all-solid-state battery research. The use of solid electrolytes provides enhanced safety and durability due to their reduced flammability and increased mechanical strength compared to organic liquid electrolytes. Still, the use of solid electrolytes remains challenging. Computational modeling plays a substantial role in addressing these challenges. A particle dynamics electromechanical model for simulating electrochemical processes in a solid-state battery cathode will be presented. The model presents cathode microstructure at the particle level as a mixture of ionically conductive solid electrolyte particles, electrically conductive carbon additives, and cathodic reactant particles. After densification, the particle connectivity is analyzed to reconstruct the complex electric network connecting reactant particles with an anodic and cathodic current collectors through the electrolyte and carbon particles. The Kirchhoff’s matrix equation describing this electric network, is solved to obtain values of various critical parameters, such as the overall conductivity of the cathode for lithium ions and electrons, cathodic reactant material utilization, and the distribution of the electric current and voltages within the cathode. In addition, by representing the reactant particles as electrolyte or galvanic microcells governed by the Butler-Volmer electrochemical equation, the overall performance of battery cells during charge or discharge processes, respectively, can be predicted for a given cathodic powder composition. The presented model, executed on a high-performance computing architecture, essentially provides a valuable guidance in designing and developing future solid-state batteries.
solid-state battery↗
Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.
25 ENERGY STORAGE↗
Physics-Based Modeling and Simulation of Emerging Battery Technologies for Aerospace
Recently there is a growing interest in the aviation sector to reduce air and noise pollution. Electrochemical energy storage devices such as batteries coupled with a distributed electric propulsion system can reduce noise concerns as well as emissions and allow the concept of Urban Air Mobility to come to fruition. The battery performance needs to improve considerably compared from current state-of-art Li-ion battery (about 200Wh/Kg) to realize all-electric passenger jet for short flights (up to 690 miles). NASA is exploring lithium-oxygen battery chemistry to power hybrid (battery powered electrical system) and all-electric aircraft for short distance and long-distance flights. Li-O2 is one of the advanced Li-ion technologies that promise to provide specific energy of more than 750Wh/Kg. For this presentation, we present our work on improving power density of Li-O2 batteries through the use of multiphysics simulations. Next, a path is outlined to port these model to simulate performance for a new battery chemistry for space application, Li-CO2. Li-CO2 uses carbon dioxide as the active material instead of oxygen. Although this technology is in its early development, the offers two benefits: it can be used as a CO2 scrubber, as oxygen is one of the by-products on charging, and as a backup or a standalone battery for various Mars or Venus missions, where the carbon dioxide content in the atmosphere is high and need battery to operate at higher temperatures.
Mehta, Mohit↗
Lithium recycling and cathode material regeneration from acid leach liquor of spent lithium-ion battery via facile co-extraction and co-precipitation processes
Highlights: • A novel process for combining Li and cathode material recycling is developed. • Ni, Co and Mn are co-extracted and separated with Li. • Li recovered as Li{sub 2}CO{sub 3} with the purity of 99.2% is achieved. • The spherical cathode material LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} is directly regenerated. - Abstract: A novel process for extracting transition metals, recovering lithium and regenerating cathode materials based on facile co-extraction and co-precipitation processes has been developed. 100% manganese, 99% cobalt and 85% nickel are co-extracted and separated from lithium by D2EHPA in kerosene. Then, Li is recovered from the raffinate as Li{sub 2}CO{sub 3} with the purity of 99.2% by precipitation method. Finally, organic load phase is stripped with 0.5 M H{sub 2}SO{sub 4}, and the cathode material LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} is directly regenerated from stripping liquor without separating metal individually by co-precipitation method. The regenerative cathode material LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} is miro spherical morphology without any impurities, which can meet with LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} production standard of China and exhibits good electrochemical performance. Moreover, a waste battery management model is introduced to guarantee the material supply for spent battery recycling.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dynamics of Intra-Cell Thermal Front Propagation in Lithium-Ion Battery Safety Issues
Thermal runaway (TR), a critical failure mode in lithium-ion batteries (LIBs), poses significant safety risks and hinders wider application of LIBs. TR typically begins at a localized heat source and spreads across the cell. Understanding thermal front propagation (TFP) characteristics, such as front and velocity, is crucial for assessing energy release and temperature distribution for battery hazardous estimation. Recent studies assume that TR within cells propagates at a near-constant velocity, based on the reaction kinetics and thermal properties. Here, in this study, an intra-battery TR model is further proposed and it indicates that TFP velocity stabilizes when the front is distanced from the heat source. Theoretical estimates for propagation velocity and front are developed and validated through numerical simulations and experimental tests from the NREL Battery Failure Databank. The energy release rate during TFP and the impact of preheating based on a point heat source are explored. This work clarifies the long-standing clouds of the thermal font propagation behaviors within the single cell, highlights the power and beauty of mathematics modeling to describe the complicated thermal behaviors, and provides important guidelines for thermal hazardous understanding for next-generation batteries.
25 ENERGY STORAGE↗
Battery state of health monitoring by estimation of the number of cyclable Li-ions
Herein this paper introduces a method to monitor battery state of health (SOH) by estimating the number of cyclable Li-ions, a health-relevant electrochemical variable. SOH monitoring is critical to battery management in balancing the trade-off between maximizing system performance and minimizing battery degradation. The decrease of cyclable Li-ions indicates the effect on the SOH of degradation mechanisms that consume cyclable Li-ions. The unavailability of the number of cyclable Li-ions through non-invasive measurements makes its estimation necessary for in-situ SOH monitoring. In this paper, the extended Kalman filter (EKF) is used to estimate the number of cyclable Li-ions as an unknown battery parameter. The single particle model (SPM), a simplified battery electrochemical model, is used as the model in the EKF to achieve a computational complexity suitable for on-line estimation. Simulations are performed under typical electric vehicle current trajectories using an example parameter set for a hybrid-electric-vehicle battery. In the simulations, the battery is represented by the Doyle–Fuller–Newman (DFN) model, an electrochemical model with higher fidelity than the SPM. To comply with the practice, instead of using the same parameters as the DFN model in the SPM, parameterization of the SPM is performed before estimation of the number of cyclable Li-ions. The simulations show high estimation accuracy of the number of cyclable Li-ions using the EKF, even with the structural and parametric differences between the DFN model and the SPM, under both the ideal conditions and various non-ideal conditions (i.e., SOC estimation error, additional modeling error, and measurement noise).
25 ENERGY STORAGE↗
On the Impact of Mechanics on Electrochemistry of Lithium-Ion Battery Anodes
Abstract Models exploring electrochemistry-mechanics coupling in liquid electrolyte lithium-ion battery anodes have traditionally incorporated stress impact on thermodynamics, bulk diffusive transport, and fracture, while stress-kinetics coupling is more explored in the context of all solid-state batteries. Here, we showcase the existence of strong link between active particle surface pressure and reaction kinetics affecting performance even in liquid electrolyte systems. Traction-free and immobile particle surface mechanical boundary conditions are used to delineate the varying pressure magnitudes in graphite host during cycling. Both tensile and compressive stresses are generated in traction-free case, while a fixed surface subjects the entire particle to a compression state. Pressure magnitudes are nearly two to three orders of magnitude higher for the latter resulting in significant depression of open circuit potential and improvement of exchange current densities compared to stress-free state. The results demonstrate the need for incorporating stress-kinetics linkage in models and provide a rationale for putting battery electrodes under compression to improve kinetics.
25 ENERGY STORAGE↗
Modeling Rate Dependent Volume Change in Porous Electrodes in Lithium-Ion Batteries
Automotive manufacturers are working to improve individual cell, module, and overall pack design by increasing the performance, range, and durability, while reducing cost. One key piece to consider during the design process is the active material volume change, its linkage to the particle, electrode, and cell level volume changes, and the interplay with structural components in the rechargeable energy storage system. As the time from initial design to manufacture of electric vehicles decreases, design work needs to move to the virtual domain; therefore, a need for coupled electrochemical-mechanical models that take into account the active material volume change and the rate dependence of this volume change need to be considered. In this study, we illustrated the applicability of a coupled electrochemical-mechanical battery model considering multiple representative particles to capture experimentally measured rate dependent reversible volume change at the cell level through the use of an electrochemical-mechanical battery model that couples the particle, electrode, and cell level volume changes. By employing this coupled approach, the importance of considering multiple active material particle sizes representative of the distribution is demonstrated. The non-uniformity in utilization between two different size particles as well as the significant spatial non-uniformity in the radial direction of the larger particles is the primary driver of the rate dependent characteristics of the volume change at the electrode and cell level.
Electrochemistry↗
Mass and charge transport relevant to the formation of toroidal lithium peroxide nanoparticles in an aprotic lithium-oxygen battery: An experimental and theoretical modeling study
In this paper, the discharge and charge mechanisms of rechargeable Li-O 2 batteries have been the subject of extensive investigation recently. However, they are not fully understood yet. Here we report a systematic study of the morphological transition of Li 2 O 2 from a single crystalline structure to a toroid like particle during the discharge-charge cycle, with the help of a theoretical model to explain the evolution of the Li 2 O 2 at different stages of this process. The model suggests that the transition starts in the first monolayer of Li 2 O 2 , and is subsequently followed by a transition from particle growth to film growth if the applied current exceeds the exchange current for the oxygen reduction reaction in a Li-O 2 cell. Furthermore, a sustainable mass transport of the diffusive active species (e.g., O 2 and Li + ) and evolution of the underlying interfaces are critical to dictate desirable oxygen reduction (discharge) and evolution (charge) reactions in the porous carbon electrode of a Li-O 2 cell.
25 ENERGY STORAGE↗